Propanoic acid, 2-(4-chlorophenoxy)-, methyl ester, (R)-

Base Information

• Chemical Name: Propanoic acid, 2-(4-chlorophenoxy)-, methyl ester, (R)-
• CAS No.: 99210-92-1
• Molecular Formula: C10H11ClO3
• Molecular Weight: 214.649
• DSSTox Substance ID: DTXSID701273207
• Nikkaji Number: J738.581A
• Mol file: 99210-92-1.mol

Synonyms:99210-92-1;Propanoic acid, 2-(4-chlorophenoxy)-, methyl ester, (R)-;DTXSID701273207;Methyl (2R)-2-(4-chlorophenoxy)propanoate

Chemical Property of Propanoic acid, 2-(4-chlorophenoxy)-, methyl ester, (R)-

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 214.0396719
• Heavy Atom Count: 14
• Complexity: 188

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)OC)OC1=CC=C(C=C1)Cl
• Isomeric SMILES: C[C@H](C(=O)OC)OC1=CC=C(C=C1)Cl

Technology Process of Propanoic acid, 2-(4-chlorophenoxy)-, methyl ester, (R)-

There total 9 articles about Propanoic acid, 2-(4-chlorophenoxy)-, methyl ester, (R)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2-(4-chlorophenoxy)propanoic acid methyl ester (95262-84-3) → (R)-2-(4-chlorophenoxy)propanoic acid (3307-39-9,20421-33-4,20421-35-6,20421-34-5) + (S)-2-(4-chlorophenoxy)propionic acid (3307-39-9,20421-33-4,20421-34-5,20421-35-6) + (R)-2-(4-chlorophenoxy)propanoic acid methyl ester (99210-92-1) + (S)-2-(4-chlorophenoxy)propionic acid methyl ester (95342-42-0)

Guidance literature:

Candida cylindracea lipase; In water; dimethyl sulfoxide; at 30 ℃; for 0.7h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; 0.1 M pH 7.5 phosphate buffer;

DOI:10.1016/S0040-4039(00)96590-0

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2-(4-chlorophenoxy)propionic acid (3307-39-9) → (R)-2-(4-chlorophenoxy)propanoic acid (3307-39-9,20421-33-4,20421-35-6,20421-34-5) + (S)-2-(4-chlorophenoxy)propionic acid (3307-39-9,20421-33-4,20421-34-5,20421-35-6) + (R)-2-(4-chlorophenoxy)propanoic acid methyl ester (99210-92-1) + (S)-2-(4-chlorophenoxy)propionic acid methyl ester (95342-42-0)

Guidance literature:

In methanol; diethyl ether; for 0.5h; Yield given. Title compound not separated from byproducts; Ambient temperature;

Reference yield:

methyl-(S)-2-chloropropionate (73246-45-4) + 4-chloro-phenol (106-48-9,82344-39-6) → (R)-2-(4-chlorophenoxy)propanoic acid methyl ester (99210-92-1)

Guidance literature:

4-chloro-phenol; With potassium carbonate; In Petroleum ether; for 0.5h; Reflux;

methyl-(S)-2-chloropropionate; In Petroleum ether; at 65 ℃; for 12h;

upstream raw materials:

methanol

2-(4-chlorophenoxy)propionic acid

methyl (2S)-2-bromopropanoate

potassium 4-chlorophenoxide

Downstream raw materials:

(R)-2-(4-chlorophenoxy)propanoic acid

(R)-2-(4-Chloro-phenoxy)-propionyl chloride

(-)-(R)-4-methyl-1-[2-(4-chlorophenoxy)-1-oxopropyl]piperidine

(R)-2-(4-chlorophenoxy)-propoxyamine